SCHEMBL4752999

SCHEMBL4752999

NCC(=O)OC(=O)CN.NCC(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
IDO1 P14902 2/20 0.38
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
GSR P00390 2/20 0.36
P2RY10 O00398 3/20 0.35
GPR174 Q9BXC1 3/20 0.35
GPR34 Q9UPC5 2/20 0.35
GRIK1 P39086 3/20 0.34
SLC1A1 P43005 2/20 0.34
GRIA4 P48058 2/20 0.34
GRIK2 Q13002 2/20 0.34
GRIK3 Q13003 2/20 0.34
GRM1 Q13255 2/20 0.34
GRM2 Q14416 2/20 0.34
GRIK5 Q16478 2/20 0.34
SLC7A5 Q01650 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12500454 1.00 SLC1A5 (0.40) SLC1A5NOS3NOS1NOS2IDO1
Glycine SCHEMBL1548291 0.96 SLC1A5 (0.38) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL18152975 0.94 SLC1A5 (0.37) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL352049 0.94 SLC1A5 (0.43) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL3502798 0.94 SLC1A5 (0.43) SLC1A5NOS3NOS1NOS2IDO1
Glycine SCHEMBL8588130 0.90 GLRA1 (0.42) SLC1A5NOS3NOS1NOS2IDO1
Serine SCHEMBL3821533 0.90 SLC1A5 (0.38) SLC1A5NOS3NOS1NOS2IDO1
Serine SCHEMBL15094110 0.90 SLC1A5 (0.38) SLC1A5NOS3NOS1NOS2IDO1
Glycine SCHEMBL12500492 0.89 SLC1A5 (0.36) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL16678086 0.88 SLC1A5 (0.36) SLC1A5NOS3NOS1NOS2IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283507-A1 ACYLATED GLUCAGON ANALOGUE Zealand Pharma A/S (DK) 2018-02-21 EP disclosed
WO-2016166289-A1 ACYLATED GLUCAGON ANALOGUE ZEALAND PHARMA A/S (DK) 2016-10-20 WO disclosed
WO-2008145745-A1 VACCINE AGAINST HPV SMITHKLINE BEECHAM CORPORATION (US) 2008-12-04 WO disclosed